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Home > Fluorides > 160132-86-5
160132-86-5 | Ethanone, 2,2,2-trifluoro-1-[4-(4-nitrophenyl)-1-piperidinyl]-
CAS No: 160132-86-5 Catalog No: AG001RP6 MDL No:
Product Description
Catalog Number:
AG001RP6
Chemical Name:
Ethanone, 2,2,2-trifluoro-1-[4-(4-nitrophenyl)-1-piperidinyl]-
CAS Number:
160132-86-5
Molecular Formula:
C13H13F3N2O3
Molecular Weight:
302.2491
IUPAC Name:
2,2,2-trifluoro-1-[4-(4-nitrophenyl)piperidin-1-yl]ethanone
InChI:
InChI=1S/C13H13F3N2O3/c14-13(15,16)12(19)17-7-5-10(6-8-17)9-1-3-11(4-2-9)18(20)21/h1-4,10H,5-8H2
InChI Key:
RTZBQWADJQLQHG-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)N1CCC(CC1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.088g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.253g/mol
Monoisotopic Mass:
302.088g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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